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Aldehydes and ketones

Hyperforin

Also known as hiperforina, hyperforine, (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

CAS 11079-53-1Formula C35H52O4Molar mass 536.80 g/mol
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Hyperforin chemical structure, C35H52O4, CAS 11079-53-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
11079-53-1
Formula
C35H52O4
Molar mass
536.80 g/mol
HS code
291429
Category
Aldehydes and ketones

What is Hyperforin?

Plain description, key identifiers and synonyms

Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. It has a role as an antibacterial agent, an antidepressant, an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer, a plant metabolite and a GABA reuptake inhibitor. It is a cyclic terpene ketone, a carbobicyclic compound and a sesquarterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
CAS number
11079-53-1 CAS number cross-checked
Molecular formula
C35H52O4
UNII
RM741E34FP
InChIKey
KGSZHKRKHXOAMG-HQKKAZOISA-N
InChI
InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
Canonical SMILES
CC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(=O)C1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O
Isomeric SMILES
CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

Synonyms

  • hiperforina
  • hyperforine
  • (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (+)-Hyperforin
  • (1R,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
  • Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
  • Hyperforin, >=85% (HPLC)
  • Hyperforin - solution in methanol
  • PDSP2_001346
  • Hyperforin (constituent of st. john's wort)
  • 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl) bicyclo(3.3.1)non-3-ene-2,9-dione
  • Bicyclo(3.3.1)(1,4)benzodiazepin-5-one, 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-, (1R,5S,6R,7S)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
536.80 g/molcalc.
Exact mass
536.3866 Dacalc.
LogP (octanol/water)
8.99calc.
Topological polar surface area
71.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
11calc.
Heavy atoms
39calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC2CCCC1C2=O

O=C1C=CC2CCCC1C2=O

2 rings, 11 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Hyperforin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Hyperforin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • GABA reuptake inhibitor
  • anti-inflammatory agent
  • antibacterial agent
  • antidepressant
  • antimicrobial agent
  • antineoplastic agent
  • apoptosis inducer
  • central nervous system drug
  • eukaryotic metabolite
  • metabolite
  • neurotransmitter agent
  • pharmaceutical
  • plant metabolite
  • psychotropic drug

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hyperforin is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hyperforin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hyperforin, based on the data on this page

What is Hyperforin?

Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum.

What is the CAS number of Hyperforin?

The CAS registry number of Hyperforin is 11079-53-1.

What is the molecular formula and weight of Hyperforin?

The molecular formula of Hyperforin is C35H52O4 and its molar mass is 536.80 g/mol.

What is Hyperforin used for?

Known uses and roles of Hyperforin include gaba reuptake inhibitor, anti-inflammatory agent, antibacterial agent, antidepressant, antimicrobial agent and 9 more.

Is Hyperforin hazardous?

No GHS hazard classification for Hyperforin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Hyperforin?

Hyperforin is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hyperforin?

CompoundList lists 3 suppliers of Hyperforin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hyperforin?

Suppliers quote Hyperforin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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